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3-Bromo-4-fluorobenzaldehyde

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Name

3-Bromo-4-fluorobenzaldehyde

EINECS 278-764-1
CAS No. 77771-02-9 Density 1.67 g/cm3
PSA 17.07000 LogP 2.40070
Solubility INSOLUBLE Melting Point 28-33 °C
Formula C7H4BrFO Boiling Point 311.9 °C at 760 mmHg
Molecular Weight 203.011 Flash Point 99 °C
Transport Information N/A Appearance white to light yellow low melting solid
Safety 26-36-37/39 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 77771-02-9 (3-Bromo-4-fluorobenzaldehyde) Hazard Symbols IrritantXi, HarmfulXn
Synonyms

Benzaldehyde, 3-bromo-4-fluoro-;4--bromo-3-fluorobenzaldehyde;4-Fluoro-3-bromobenzaldehyde;3-bromo-4-fluoro-benzaldehyde;4-fluoro-3- bromobenzaldehyde;

Article Data 15

3-Bromo-4-fluorobenzaldehyde Synthetic route

459-57-4

4-fluorobenzaldehyde

77771-02-9

3-bromo-4-fluorobenzaldehyde

Conditions
ConditionsYield
With sulfuric acid; sulfur trioxide; bromine; iodine; zinc dibromide at 30 - 40℃; for 5.91667h; Product distribution / selectivity; Inert atmosphere;97%
With hydrogenchloride; sodium hypochlorite solution; sodium bromide In dichloromethane; water at 20 - 25℃; for 1.5h; Irradiation;91.9%
With bromine; aluminium trichloride In dichloromethane
77771-03-0

3-bromo-4-fluoro-benzyl alcohol

77771-02-9

3-bromo-4-fluorobenzaldehyde

Conditions
ConditionsYield
With dipotassium peroxodisulfate at 55℃; for 0.25h; Ionic liquid;87%
With pyridine; hydrogenchloride In dichloromethane
With potassium dichromate; sulfuric acid In dichloromethane; water
With sodium hydroxide; nitric acid In water; toluene
2973-78-6

3-bromo-4-hydroxybenzylaldehyde

77771-02-9

3-bromo-4-fluorobenzaldehyde

Conditions
ConditionsYield
With Cl(1-)*C27H36ClN2(1+)*Cs(1+)*F(1-) In toluene at 23 - 110℃; for 24h; Inert atmosphere;61%
701914-09-2

2-bromo-1-fluoro-4-vinyl-benzene

A

2-azido-1-(3-bromo-4-fluorophenyl)ethanone

B

77771-02-9

3-bromo-4-fluorobenzaldehyde

Conditions
ConditionsYield
With trimethylsilylazide; oxygen; copper(II) bis(trifluoromethanesulfonate) at 20℃; for 18h; Overall yield = 75 %Spectr.;A 54%
B n/a
459-57-4

4-fluorobenzaldehyde

107-06-2

1,2-dichloro-ethane

77771-02-9

3-bromo-4-fluorobenzaldehyde

Conditions
ConditionsYield
With bromine; aluminium trichloride
77771-02-9

3-bromo-4-fluorobenzaldehyde

1007-16-5

3-bromo-4-fluorobenzoic acid

Conditions
ConditionsYield
With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene In tetrahydrofuran; water; tert-butyl alcohol at 20℃; for 3h;100%
With oxygen; Langlois reagent In acetonitrile at 25℃; under 760.051 Torr; for 12h; Irradiation; Green chemistry;96%
With sodium chlorite In tetrahydrofuran; water at 50℃; for 5h;91%

copper(l) cyanide

77771-02-9

3-bromo-4-fluorobenzaldehyde

218301-22-5

2-fluoro-5-formylbenzonitrile

Conditions
ConditionsYield
Stage #1: copper(l) cyanide; 3-bromo-4-fluorobenzaldehyde In 1-methyl-pyrrolidin-2-one at 170℃; for 24h;
Stage #2: With celite In 1-methyl-pyrrolidin-2-one at 80℃; for 1h;
100%
In 1-methyl-pyrrolidin-2-one at 170℃; for 24h;100%
In 1-methyl-pyrrolidin-2-one at 170℃;65.4%
In 1-methyl-pyrrolidin-2-one at 170℃; for 24h;52%
In 1-methyl-pyrrolidin-2-one at 25 - 170℃;
77771-02-9

3-bromo-4-fluorobenzaldehyde

22483-09-6

2,2-dimethoxyethylamine

1036712-61-4

N-[(3-bromo-4-fluoro-phenyl)methyl]-2,2-dimethoxy-ethanamine

Conditions
ConditionsYield
Stage #1: 3-bromo-4-fluorobenzaldehyde; 2,2-dimethoxyethylamine In toluene at 20℃; Inert atmosphere;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 2h; Inert atmosphere;
100%
5977-14-0

acetoacetamido

77771-02-9

3-bromo-4-fluorobenzaldehyde

464192-73-2

6-(3-bromo-4-fluorophenyl)-5-cyano-3,6-dihydro-4-methyl-2-oxo-(2H)-pyrimidine

Conditions
ConditionsYield
With urea99%
18645-88-0

3-fluorobenzene-1,2-diamine

77771-02-9

3-bromo-4-fluorobenzaldehyde

C14H9BrF2N2

Conditions
ConditionsYield
With C23H3BF16N2O In toluene at 25℃; for 3h; Green chemistry;99%

3-Bromo-4-fluorobenzaldehyde Specification

The 3-Bromo-4-Fluoro benzaldehyde, with its CAS registry number 77771-02-9, is a kind of white to light yellow low melting solid. For being sensitive to air, its product categories are including Fluorin-contained benzaldehyde series; Fluorobenzene; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Miscellaneous; Adehydes, Acetals & Ketones; Bromine Compounds; Fluorine Compounds; Aldehydes; C7; Carbonyl Compounds; Benzaldehyde series.

The physical properties of this chemical are as below: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 32.76; (6)ACD/BCF (pH 7.4): 32.76; (7)ACD/KOC (pH 5.5): 422.92; (8)ACD/KOC (pH 7.4): 422.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 ; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 40.68 cm3; (15)Molar Volume: 121.4 cm3; (16)Polarizability: 16.13×10-24 cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.67 g/cm3; (19)Flash Point: 99 °C; (20)Enthalpy of Vaporization: 55.29 kJ/mol; (21)Boiling Point: 311.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000546 mmHg at 25°C; (23)Exact Mass: 201.942956; (24)MonoIsotopic Mass: 201.942956; (25)Topological Polar Surface Area: 17.1; (26)Heavy Atom Count: 10; (27)Complexity: 129. 

Use of this chemical: 3-Bromo-4-Fluoro benzaldehyde could react with hexa-Si-methyl-Si,Si'-ethane-1,2-diyldioxy-bis-silane to produce 2-(3-bromo-4-fluoro-phenyl)-[1,3]dioxolane. This reaction could happen in the presence of the reagent of CF3SO3Si(CH3)3, solvent of CH2Cl2. And it needs the reaction time of 1 hour(s) and the reaction temp. of -78 ℃.



When you are dealing with this chemical, you should be very careful. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health, and it will be harmful if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C=O)Br)F
(2)InChI: InChI=1S/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
(3)InChIKey: FAHZIKXYYRGSHF-UHFFFAOYSA-N 

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